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Chemical ID: 7971147
Chemical ID:
7971147
Name [?]:
4-amino-N-[2-(2-methyl-6-tert-butyl-phenoxy)ethyl]benzenesulfonamide
SMILES [?]:
Cc1cccc(c1OCCNS(=O)(=O)c2ccc(cc2)N)C(C)(C)C
InChi [?]:
InChI=1/C19H26N2O3S/c1-14-6-5-7-17(19(2,3)4)18(14)24-13-12-21-25(22,23)16-10-8-15(20)9-11-16/h5-11,21H,12-13,20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,24,25,4,3,5,17,19,16,20,10,9,2,18,15,6,7,22,21,11,13,14,8,12/E:(2,3,4)(8,9)(10,11)(22,23)/CRV:25.6/rA:25nCCCCCCCOCCNSOOCCCCCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;s6;s22;s22;s22;/rC:-.9872,.4434,-1.0167;.0115,-.6676,-.8183;.4112,-1.438,-1.8933;1.327,-2.4576,-1.7119;1.8455,-2.7089,-.4548;1.4494,-1.9413,.623;.5344,-.9139,.4426;.1434,-.1569,1.5014;.855,1.079,1.4106;.3978,2.0142,2.5319;.7422,1.4264,3.8289;.7117,2.3608,5.1958;1.035,1.4865,6.2684;1.4133,3.5514,4.8652;-.9601,2.8488,5.4632;-1.4367,4.017,4.8972;-2.7465,4.4025,5.1048;-3.5855,3.6151,5.8831;-3.1035,2.4422,6.4501;-1.7942,2.0597,6.2339;-4.9106,4.0022,6.0954;2.0148,-2.2157,1.9927;2.8888,-3.4705,1.9416;2.8606,-1.0231,2.4436;.8692,-2.4321,2.9834;
Chemical Details
Atom Count
Formula: | C19H26N2O3S |
All Atoms: | 51 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9889 |
Area: | 558.812 |
Solvation: | -2.9814 |
Coulombic: | -38.2017 |
Bond Count [?]
All: | 52 |
Single: | 44 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 362.487 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.11 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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